⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16449084 | 1.00 | — | — | |
| SCHEMBL13892516 | 0.94 | NR1H2 (0.37) | — | |
| SCHEMBL8152977 | 0.94 | NR1H2 (0.35) | — | |
| SCHEMBL20831169 | 0.94 | NR1H2 (0.35) | — | |
| SCHEMBL311422 | 0.94 | NR1H2 (0.35) | — | |
| SCHEMBL8156758 | 0.94 | NR1H2 (0.35) | — | |
| SCHEMBL899440 | 0.92 | NR1H2 (0.34) | — | |
| SCHEMBL7093025 | 0.87 | NR1H2 (0.31) | — | |
| SCHEMBL2379453 | 0.84 | ALOX5 (0.47) | — | |
| SCHEMBL12833566 | 0.84 | ALOX5 (0.47) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655370-B1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | NOVARTIS AG (CH) | 2017-08-02 | — | — | EP | disclosed |
| EP-2655370-B1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | NOVARTIS AG (CH) | 2017-08-02 | — | — | EP | disclosed |
| US-20170002017-A1 | N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2017-01-05 | — | — | US | disclosed |
| US-20150366856-A1 | COMPOUNDS AND METHODS FOR MODULATING FXR | NOVARTIS AG (CH) | 2015-12-24 | — | — | US | disclosed |
| US-20150366856-A1 | COMPOUNDS AND METHODS FOR MODULATING FXR | NOVARTIS AG (CH) | 2015-12-24 | — | — | US | disclosed |
| US-20150366856-A1 | COMPOUNDS AND METHODS FOR MODULATING FXR | NOVARTIS AG (CH) | 2015-12-24 | — | — | US | disclosed |
| US-9150568-B2 | Compositions and methods for modulating FXR | NOVARTIS AG (CH) | 2015-10-06 | — | — | US | disclosed |
| US-9150568-B2 | Compositions and methods for modulating FXR | NOVARTIS AG (CH) | 2015-10-06 | — | — | US | disclosed |
| US-9150568-B2 | Compositions and methods for modulating FXR | NOVARTIS AG (CH) | 2015-10-06 | — | — | US | disclosed |
| EP-2855428-A1 | N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN | Genentech, Inc. (US) | 2015-04-08 | — | — | EP | disclosed |
| US-8952169-B2 | N-substituted benzamides and methods of use thereof | XENON PHARMACEUTICALS INC. (CA) | 2015-02-10 | — | — | US | disclosed |
| US-8952169-B2 | N-substituted benzamides and methods of use thereof | XENON PHARMACEUTICALS INC. (CA) | 2015-02-10 | — | — | US | disclosed |
| US-20130331349-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2013-12-12 | — | — | US | disclosed |
| US-20130317001-A1 | N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF | XENON PHARMACEUTICALS INC. (CA) | 2013-11-28 | — | — | US | disclosed |
| WO-2013177224-A1 | N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN | GENENTECH, INC. (US) | 2013-11-28 | — | — | WO | disclosed |
| EP-2655370-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087519-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2012-06-28 | — | — | WO | disclosed |